A1IO4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C7 | sing | 1.35Å | 1.33Å | |
| C7 | O2 | doub | 1.22Å | 1.22Å | |
| C7 | N1 | sing | 1.34Å | 1.36Å | |
| N1 | C8 | doub | 1.32Å | 1.33Å | |
| C8 | N2 | sing | 1.37Å | 1.33Å | |
| C8 | C9 | sing | 1.47Å | 1.48Å | |
| C9 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | N3 | sing | 1.39Å | 1.37Å | |
| N3 | C13 | sing | 1.47Å | 1.45Å | |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| C14 | N4 | doub | 1.30Å | 1.32Å | Aromatic |
| N4 | C15 | sing | 1.36Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.41Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.36Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C21 | sing | 1.48Å | 1.50Å | |
| C21 | O3 | doub | 1.22Å | 1.22Å | |
| C21 | N5 | sing | 1.35Å | 1.35Å | |
| N5 | C22 | sing | 1.47Å | 1.48Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C24 | O4 | doub | 1.21Å | 1.20Å | |
| C24 | O5 | sing | 1.34Å | 1.35Å | |
| O5 | C25 | sing | 1.45Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.49Å | |
| N5 | C27 | sing | 1.39Å | 1.40Å | |
| C27 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C28 | sing | 1.32Å | 1.34Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | N7 | sing | 1.38Å | 1.38Å | Aromatic |
| N7 | C32 | sing | 1.47Å | 1.46Å | |
| C12 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.37Å | 1.38Å | Aromatic |
| C9 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | N7 | sing | 1.36Å | 1.36Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.08Å | 1.08Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.08Å | 1.08Å | |
| C34 | H41 | sing | 1.08Å | 1.08Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 114.1° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.3° | 109.5° |
| C1 | C2 | H5 | 108.3° | 109.5° |
| C2 | C3 | C4 | 113.7° | 109.5° |
| C3 | C2 | H4 | 108.3° | 109.5° |
| C3 | C2 | H5 | 108.3° | 109.4° |
| C2 | C3 | H7 | 108.4° | 109.4° |
| C2 | C3 | H6 | 108.4° | 109.5° |
| C3 | C4 | C5 | 118.3° | 109.5° |
| C3 | C4 | H9 | 107.2° | 109.5° |
| C3 | C4 | H8 | 107.2° | 109.5° |
| C4 | C3 | H7 | 108.4° | 109.5° |
| C4 | C3 | H6 | 108.4° | 109.5° |
| C4 | C5 | C6 | 114.9° | 109.5° |
| C5 | C4 | H9 | 107.2° | 109.5° |
| C5 | C4 | H8 | 107.2° | 109.5° |
| C4 | C5 | H10 | 108.1° | 109.5° |
| C4 | C5 | H11 | 108.1° | 109.5° |
| C5 | C6 | O1 | 104.1° | 109.5° |
| C6 | C5 | H10 | 108.1° | 109.5° |
| C6 | C5 | H11 | 108.1° | 109.5° |
| C5 | C6 | H12 | 110.8° | 109.4° |
| C5 | C6 | H13 | 110.8° | 109.5° |
| C6 | O1 | C7 | 114.5° | 117.0° |
| O1 | C6 | H12 | 110.8° | 109.5° |
| O1 | C6 | H13 | 110.8° | 109.5° |
| O1 | C7 | O2 | 125.1° | 119.9° |
| O1 | C7 | N1 | 106.6° | 120.1° |
| O2 | C7 | N1 | 125.7° | 120.0° |
| C7 | N1 | C8 | 120.3° | 120.0° |
| N1 | C8 | N2 | 134.0° | 120.0° |
| N1 | C8 | C9 | 103.7° | 120.0° |
| N2 | C8 | C9 | 119.0° | 120.0° |
| C8 | N2 | H15 | 120.0° | 120.0° |
| C8 | N2 | H14 | 120.0° | 120.0° |
| C8 | C9 | C10 | 118.5° | 120.1° |
| C8 | C9 | C34 | 122.5° | 120.1° |
| C9 | C10 | C11 | 120.9° | 119.9° |
| C10 | C9 | C34 | 119.0° | 119.8° |
| C9 | C10 | H16 | 119.6° | 120.1° |
| C10 | C11 | C12 | 120.0° | 120.1° |
| C11 | C10 | H16 | 119.6° | 120.0° |
| C10 | C11 | H17 | 120.0° | 119.9° |
| C11 | C12 | N3 | 119.0° | 119.9° |
| C11 | C12 | C33 | 119.7° | 120.2° |
| C12 | C11 | H17 | 120.0° | 120.0° |
| C12 | N3 | C13 | 124.9° | 120.0° |
| N3 | C12 | C33 | 121.3° | 119.9° |
| C12 | N3 | H18 | 105.5° | 120.0° |
| N3 | C13 | C14 | 107.1° | 109.5° |
| C13 | N3 | H18 | 105.5° | 120.0° |
| N3 | C13 | H19 | 110.1° | 109.4° |
| N3 | C13 | H20 | 110.1° | 109.4° |
| C13 | C14 | N4 | 123.1° | 124.9° |
| C13 | C14 | N7 | 124.6° | 124.9° |
| C14 | C13 | H19 | 110.1° | 109.5° |
| C14 | C13 | H20 | 110.1° | 109.5° |
| C14 | N4 | C15 | 105.7° | 109.6° |
| N4 | C14 | N7 | 112.3° | 110.1° |
| N4 | C15 | C16 | 109.2° | 106.9° |
| N4 | C15 | C20 | 130.4° | 133.5° |
| C15 | C16 | C17 | 122.2° | 120.1° |
| C15 | C16 | N7 | 105.7° | 106.0° |
| C16 | C15 | C20 | 120.4° | 119.6° |
| C16 | C17 | C18 | 116.3° | 120.1° |
| C17 | C16 | N7 | 132.2° | 133.9° |
| C16 | C17 | H21 | 121.8° | 119.9° |
| C17 | C18 | C19 | 122.5° | 120.5° |
| C18 | C17 | H21 | 121.9° | 119.9° |
| C17 | C18 | H22 | 118.8° | 119.8° |
| C18 | C19 | C20 | 120.5° | 120.2° |
| C18 | C19 | C21 | 117.3° | 119.9° |
| C19 | C18 | H22 | 118.8° | 119.8° |
| C20 | C19 | C21 | 122.1° | 119.9° |
| C19 | C20 | C15 | 118.2° | 119.5° |
| C19 | C20 | H23 | 120.9° | 120.3° |
| C19 | C21 | O3 | 120.8° | 120.0° |
| C19 | C21 | N5 | 115.8° | 120.0° |
| O3 | C21 | N5 | 122.0° | 120.0° |
| C21 | N5 | C22 | 118.7° | 120.0° |
| C21 | N5 | C27 | 119.3° | 120.0° |
| N5 | C22 | C23 | 111.2° | 109.4° |
| C22 | N5 | C27 | 121.5° | 120.0° |
| N5 | C22 | H24 | 109.0° | 109.5° |
| N5 | C22 | H25 | 109.0° | 109.5° |
| C22 | C23 | C24 | 119.1° | 109.5° |
| C23 | C22 | H24 | 109.0° | 109.5° |
| C23 | C22 | H25 | 109.0° | 109.4° |
| C22 | C23 | H26 | 107.0° | 109.4° |
| C22 | C23 | H27 | 107.0° | 109.5° |
| C23 | C24 | O4 | 124.8° | 120.0° |
| C23 | C24 | O5 | 113.0° | 120.0° |
| C24 | C23 | H26 | 107.0° | 109.5° |
| C24 | C23 | H27 | 107.0° | 109.5° |
| O4 | C24 | O5 | 121.7° | 120.0° |
| C24 | O5 | C25 | 119.5° | 117.0° |
| O5 | C25 | C26 | 116.4° | 109.4° |
| O5 | C25 | H28 | 107.7° | 109.4° |
| O5 | C25 | H29 | 107.7° | 109.5° |
| C25 | C26 | H30 | 109.5° | 109.5° |
| C25 | C26 | H31 | 109.4° | 109.4° |
| C25 | C26 | H32 | 109.5° | 109.4° |
| C26 | C25 | H28 | 107.7° | 109.4° |
| C26 | C25 | H29 | 107.7° | 109.5° |
| N5 | C27 | N6 | 115.1° | 119.7° |
| N5 | C27 | C31 | 122.8° | 119.7° |
| C27 | N6 | C28 | 117.9° | 121.6° |
| N6 | C27 | C31 | 122.2° | 120.6° |
| N6 | C28 | C29 | 123.5° | 120.8° |
| N6 | C28 | H33 | 118.2° | 119.6° |
| C28 | C29 | C30 | 118.2° | 119.3° |
| C29 | C28 | H33 | 118.2° | 119.6° |
| C28 | C29 | H34 | 120.9° | 120.3° |
| C29 | C30 | C31 | 119.8° | 118.5° |
| C30 | C29 | H34 | 120.9° | 120.3° |
| C29 | C30 | H35 | 120.1° | 120.7° |
| C30 | C31 | C27 | 118.5° | 119.1° |
| C31 | C30 | H35 | 120.1° | 120.7° |
| C30 | C31 | H36 | 120.7° | 120.5° |
| C16 | N7 | C32 | 124.1° | 126.3° |
| C16 | N7 | C14 | 107.1° | 107.4° |
| C32 | N7 | C14 | 128.8° | 126.3° |
| N7 | C32 | H38 | 109.5° | 109.5° |
| N7 | C32 | H39 | 109.5° | 109.4° |
| N7 | C32 | H37 | 109.5° | 109.5° |
| C12 | C33 | C34 | 120.2° | 120.1° |
| C12 | C33 | H40 | 119.9° | 119.9° |
| C33 | C34 | C9 | 120.3° | 120.0° |
| C34 | C33 | H40 | 119.9° | 120.0° |
| C33 | C34 | H41 | 119.9° | 120.0° |
| C9 | C34 | H41 | 119.9° | 120.0° |
| C15 | C20 | H23 | 120.9° | 120.3° |
| C27 | C31 | H36 | 120.8° | 120.4° |
| H9 | C4 | H8 | 109.5° | 109.4° |
| H10 | C5 | H11 | 109.4° | 109.4° |
| H12 | C6 | H13 | 109.4° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H24 | C22 | H25 | 109.5° | 109.5° |
| H30 | C26 | H31 | 109.5° | 109.5° |
| H30 | C26 | H32 | 109.5° | 109.5° |
| H31 | C26 | H32 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.4° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H26 | C23 | H27 | 109.5° | 109.4° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H7 | C3 | H6 | 109.5° | 109.4° |
| H38 | C32 | H39 | 109.5° | 109.5° |
| H38 | C32 | H37 | 109.5° | 109.5° |
| H39 | C32 | H37 | 109.5° | 109.4° |
| H15 | N2 | H14 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H4 | 120.7° | 120.1° |
| C1 | C2 | C3 | H5 | 120.7° | 120.0° |
| C1 | C2 | C3 | C4 | 60.3° | 180.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.1° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 117.9° | 120.0° |
| C1 | C2 | C3 | H7 | 179.1° | 60.0° |
| C1 | C2 | C3 | H6 | 60.3° | 59.9° |
| C2 | C3 | C4 | H7 | 120.6° | 120.0° |
| C2 | C3 | C4 | H6 | 120.6° | 120.0° |
| C2 | C3 | C4 | C5 | 101.8° | 180.0° |
| C2 | C3 | C4 | H9 | 19.5° | 60.0° |
| C2 | C3 | C4 | H8 | 137.0° | 60.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.1° |
| C3 | C2 | C1 | H1 | 60.0° | 59.9° |
| C3 | C2 | H4 | H5 | 117.9° | 120.0° |
| C2 | C3 | H7 | H6 | 118.0° | 120.0° |
| C3 | C4 | C5 | H9 | 121.2° | 120.0° |
| C3 | C4 | C5 | H8 | 121.2° | 120.0° |
| C3 | C4 | C5 | C6 | 155.0° | 180.0° |
| C3 | C4 | H9 | H8 | 116.0° | 120.0° |
| C3 | C4 | C5 | H10 | 84.2° | 60.0° |
| C3 | C4 | C5 | H11 | 34.2° | 60.0° |
| C4 | C3 | C2 | H4 | 60.4° | 60.0° |
| C4 | C3 | C2 | H5 | 179.0° | 60.0° |
| C4 | C3 | H7 | H6 | 118.1° | 120.0° |
| C4 | C5 | C6 | H10 | 120.8° | 120.0° |
| C4 | C5 | C6 | H11 | 120.8° | 120.0° |
| C4 | C5 | C6 | O1 | 104.8° | 180.0° |
| C5 | C4 | H9 | H8 | 116.0° | 120.0° |
| C4 | C5 | H10 | H11 | 117.5° | 120.0° |
| C4 | C5 | C6 | H12 | 14.4° | 60.0° |
| C4 | C5 | C6 | H13 | 136.1° | 60.0° |
| C5 | C4 | C3 | H7 | 137.6° | 60.0° |
| C5 | C4 | C3 | H6 | 18.8° | 60.0° |
| C5 | C6 | O1 | H12 | 119.1° | 119.9° |
| C5 | C6 | O1 | H13 | 119.2° | 120.0° |
| C5 | C6 | O1 | C7 | 91.7° | 180.0° |
| C6 | C5 | C4 | H9 | 33.7° | 60.0° |
| C6 | C5 | C4 | H8 | 83.8° | 60.0° |
| C6 | C5 | H10 | H11 | 117.5° | 120.0° |
| C5 | C6 | H12 | H13 | 122.5° | 120.0° |
| C6 | O1 | C7 | O2 | 59.3° | 0.1° |
| C6 | O1 | C7 | N1 | 103.3° | 180.0° |
| O1 | C6 | C5 | H10 | 134.4° | 60.0° |
| O1 | C6 | C5 | H11 | 16.0° | 60.0° |
| O1 | C6 | H12 | H13 | 122.5° | 120.1° |
| O1 | C7 | O2 | N1 | 159.3° | 179.9° |
| O1 | C7 | N1 | C8 | 173.5° | 73.8° |
| C7 | O1 | C6 | H12 | 149.1° | 60.1° |
| C7 | O1 | C6 | H13 | 27.4° | 60.0° |
| O2 | C7 | N1 | C8 | 11.0° | 106.3° |
| C7 | N1 | C8 | N2 | 43.3° | 5.3° |
| C7 | N1 | C8 | C9 | 114.9° | 174.7° |
| N1 | C8 | N2 | C9 | 155.6° | 179.9° |
| N1 | C8 | C9 | C10 | 51.9° | 180.0° |
| N1 | C8 | C9 | C34 | 126.6° | 0.5° |
| N1 | C8 | N2 | H15 | 155.6° | 5.1° |
| N1 | C8 | N2 | H14 | 24.4° | 175.0° |
| N2 | C8 | C9 | C10 | 110.3° | 0.0° |
| N2 | C8 | C9 | C34 | 71.2° | 179.4° |
| C8 | N2 | H15 | H14 | 180.0° | 179.9° |
| C8 | C9 | C10 | C34 | 178.6° | 179.4° |
| C8 | C9 | C10 | C11 | 179.8° | 180.0° |
| C8 | C9 | C34 | C33 | 179.5° | 180.0° |
| C8 | C9 | C10 | H16 | 0.2° | 0.3° |
| C8 | C9 | C34 | H41 | 0.5° | 0.3° |
| C9 | C8 | N2 | H15 | 0.0° | 174.9° |
| C9 | C8 | N2 | H14 | 180.0° | 5.0° |
| C9 | C10 | C11 | H16 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.7° | 0.3° |
| C10 | C9 | C34 | C33 | 1.0° | 0.6° |
| C9 | C10 | C11 | H17 | 179.3° | 179.7° |
| C10 | C9 | C34 | H41 | 179.0° | 179.7° |
| C10 | C11 | C12 | H17 | 180.0° | 179.9° |
| C10 | C11 | C12 | N3 | 179.1° | 180.0° |
| C10 | C11 | C12 | C33 | 0.1° | 0.0° |
| C11 | C10 | C9 | C34 | 1.2° | 0.6° |
| C11 | C12 | N3 | C33 | 179.1° | 180.0° |
| C11 | C12 | N3 | C13 | 63.7° | 180.0° |
| C11 | C12 | C33 | C34 | 0.3° | 0.0° |
| C11 | C12 | N3 | H18 | 58.4° | 0.1° |
| C12 | C11 | C10 | H16 | 179.3° | 179.9° |
| C11 | C12 | C33 | H40 | 179.7° | 180.0° |
| C12 | N3 | C13 | H18 | 122.1° | 179.9° |
| C12 | N3 | C13 | C14 | 141.8° | 180.0° |
| N3 | C12 | C33 | C34 | 179.3° | 180.0° |
| C12 | N3 | C13 | H19 | 22.2° | 60.0° |
| C12 | N3 | C13 | H20 | 98.5° | 60.0° |
| N3 | C12 | C11 | H17 | 0.8° | 0.0° |
| N3 | C12 | C33 | H40 | 0.6° | 0.0° |
| N3 | C13 | C14 | H19 | 119.7° | 120.0° |
| N3 | C13 | C14 | H20 | 119.6° | 120.0° |
| N3 | C13 | C14 | N4 | 128.3° | 90.0° |
| C13 | N3 | C12 | C33 | 117.2° | 0.0° |
| N3 | C13 | C14 | N7 | 48.2° | 89.7° |
| N3 | C13 | H19 | H20 | 121.1° | 119.9° |
| C13 | C14 | N4 | N7 | 176.9° | 179.8° |
| C13 | C14 | N4 | C15 | 179.4° | 180.0° |
| C13 | C14 | N7 | C16 | 179.5° | 179.8° |
| C13 | C14 | N7 | C32 | 3.3° | 0.2° |
| C14 | C13 | N3 | H18 | 96.1° | 0.1° |
| C14 | C13 | H19 | H20 | 121.1° | 120.1° |
| C14 | N4 | C15 | C16 | 1.4° | 0.0° |
| N4 | C14 | N7 | C16 | 2.6° | 0.4° |
| N4 | C14 | N7 | C32 | 179.8° | 180.0° |
| C14 | N4 | C15 | C20 | 178.5° | 179.7° |
| N4 | C14 | C13 | H19 | 112.0° | 30.0° |
| N4 | C14 | C13 | H20 | 8.7° | 150.0° |
| N4 | C15 | C16 | C20 | 179.9° | 179.8° |
| N4 | C15 | C16 | C17 | 180.0° | 179.8° |
| N4 | C15 | C20 | C19 | 179.3° | 179.7° |
| N4 | C15 | C16 | N7 | 0.2° | 0.3° |
| C15 | N4 | C14 | N7 | 2.5° | 0.2° |
| N4 | C15 | C20 | H23 | 0.7° | 0.3° |
| C15 | C16 | C17 | N7 | 179.8° | 179.9° |
| C15 | C16 | C17 | C18 | 1.0° | 0.1° |
| C16 | C15 | C20 | C19 | 0.6° | 0.0° |
| C15 | C16 | N7 | C32 | 179.0° | 180.0° |
| C15 | C16 | N7 | C14 | 1.6° | 0.4° |
| C15 | C16 | C17 | H21 | 179.0° | 180.0° |
| C16 | C15 | C20 | H23 | 179.4° | 180.0° |
| C16 | C17 | C18 | H21 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.2° | 0.1° |
| C17 | C16 | N7 | C32 | 1.2° | 0.1° |
| C17 | C16 | N7 | C14 | 178.5° | 179.7° |
| C17 | C16 | C15 | C20 | 0.1° | 0.0° |
| C16 | C17 | C18 | H22 | 178.8° | 179.9° |
| C17 | C18 | C19 | H22 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.6° | 0.1° |
| C17 | C18 | C19 | C21 | 179.7° | 180.0° |
| C18 | C17 | C16 | N7 | 179.2° | 180.0° |
| C18 | C19 | C20 | C21 | 179.1° | 179.9° |
| C18 | C19 | C21 | O3 | 119.0° | 147.5° |
| C18 | C19 | C21 | N5 | 47.8° | 32.5° |
| C18 | C19 | C20 | C15 | 0.4° | 0.0° |
| C19 | C18 | C17 | H21 | 178.8° | 180.0° |
| C18 | C19 | C20 | H23 | 179.7° | 180.0° |
| C20 | C19 | C21 | O3 | 60.0° | 32.6° |
| C20 | C19 | C21 | N5 | 133.2° | 147.4° |
| C19 | C20 | C15 | H23 | 180.0° | 180.0° |
| C20 | C19 | C18 | H22 | 179.4° | 180.0° |
| C19 | C21 | O3 | N5 | 166.0° | 180.0° |
| C19 | C21 | N5 | C22 | 129.2° | 2.4° |
| C19 | C21 | N5 | C27 | 58.9° | 177.6° |
| C21 | C19 | C20 | C15 | 178.7° | 179.9° |
| C21 | C19 | C20 | H23 | 1.3° | 0.1° |
| C21 | C19 | C18 | H22 | 0.3° | 0.0° |
| O3 | C21 | N5 | C22 | 37.4° | 177.6° |
| O3 | C21 | N5 | C27 | 134.5° | 2.4° |
| C21 | N5 | C22 | C27 | 171.7° | 180.0° |
| C21 | N5 | C22 | C23 | 147.3° | 111.8° |
| C21 | N5 | C27 | N6 | 94.4° | 163.1° |
| C21 | N5 | C27 | C31 | 85.2° | 16.5° |
| C21 | N5 | C22 | H24 | 27.0° | 8.2° |
| C21 | N5 | C22 | H25 | 92.5° | 128.3° |
| N5 | C22 | C23 | H24 | 120.3° | 120.0° |
| N5 | C22 | C23 | H25 | 120.3° | 119.9° |
| N5 | C22 | C23 | C24 | 110.4° | 180.0° |
| C22 | N5 | C27 | N6 | 77.2° | 17.0° |
| C22 | N5 | C27 | C31 | 103.1° | 163.5° |
| N5 | C22 | H24 | H25 | 119.2° | 120.0° |
| N5 | C22 | C23 | H26 | 128.3° | 60.0° |
| N5 | C22 | C23 | H27 | 11.0° | 59.9° |
| C22 | C23 | C24 | H26 | 121.4° | 120.0° |
| C22 | C23 | C24 | H27 | 121.4° | 120.1° |
| C22 | C23 | C24 | O4 | 25.5° | 0.1° |
| C22 | C23 | C24 | O5 | 146.6° | 180.0° |
| C23 | C22 | N5 | C27 | 41.0° | 68.2° |
| C23 | C22 | H24 | H25 | 119.2° | 120.0° |
| C22 | C23 | H26 | H27 | 115.6° | 120.0° |
| C23 | C24 | O4 | O5 | 171.4° | 179.9° |
| C23 | C24 | O5 | C25 | 38.1° | 179.9° |
| C24 | C23 | C22 | H24 | 9.9° | 60.0° |
| C24 | C23 | C22 | H25 | 129.4° | 60.1° |
| C24 | C23 | H26 | H27 | 115.6° | 120.0° |
| O4 | C24 | O5 | C25 | 134.3° | 0.0° |
| O4 | C24 | C23 | H26 | 95.9° | 120.1° |
| O4 | C24 | C23 | H27 | 146.8° | 120.0° |
| C24 | O5 | C25 | C26 | 95.2° | 180.0° |
| O5 | C24 | C23 | H26 | 92.1° | 60.1° |
| O5 | C24 | C23 | H27 | 25.2° | 59.9° |
| C24 | O5 | C25 | H28 | 25.8° | 60.0° |
| C24 | O5 | C25 | H29 | 143.8° | 60.0° |
| O5 | C25 | C26 | H28 | 121.0° | 119.9° |
| O5 | C25 | C26 | H29 | 121.0° | 120.1° |
| O5 | C25 | C26 | H30 | 180.0° | 60.0° |
| O5 | C25 | C26 | H31 | 60.0° | 60.1° |
| O5 | C25 | C26 | H32 | 60.0° | 180.0° |
| O5 | C25 | H28 | H29 | 116.8° | 120.0° |
| C25 | C26 | H30 | H31 | 120.0° | 120.0° |
| C25 | C26 | H30 | H32 | 120.0° | 120.0° |
| C25 | C26 | H31 | H32 | 120.0° | 119.9° |
| C26 | C25 | H28 | H29 | 116.8° | 120.0° |
| N5 | C27 | N6 | C31 | 179.6° | 179.5° |
| N5 | C27 | N6 | C28 | 179.6° | 180.0° |
| N5 | C27 | C31 | C30 | 179.7° | 179.7° |
| C27 | N5 | C22 | H24 | 161.3° | 171.8° |
| C27 | N5 | C22 | H25 | 79.2° | 51.7° |
| N5 | C27 | C31 | H36 | 0.3° | 0.4° |
| C27 | N6 | C28 | C29 | 0.1° | 0.5° |
| N6 | C27 | C31 | C30 | 0.1° | 0.2° |
| C27 | N6 | C28 | H33 | 179.8° | 179.8° |
| N6 | C27 | C31 | H36 | 179.9° | 180.0° |
| N6 | C28 | C29 | H33 | 180.0° | 179.7° |
| N6 | C28 | C29 | C30 | 0.1° | 0.3° |
| C28 | N6 | C27 | C31 | 0.0° | 0.5° |
| N6 | C28 | C29 | H34 | 179.9° | 179.8° |
| C28 | C29 | C30 | H34 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.1° | 0.0° |
| C28 | C29 | C30 | H35 | 179.9° | 180.0° |
| C29 | C30 | C31 | H35 | 180.0° | 180.0° |
| C29 | C30 | C31 | C27 | 0.2° | 0.0° |
| C30 | C29 | C28 | H33 | 179.9° | 180.0° |
| C29 | C30 | C31 | H36 | 179.8° | 179.8° |
| C30 | C31 | C27 | H36 | 180.0° | 179.8° |
| C31 | C30 | C29 | H34 | 179.9° | 180.0° |
| C16 | N7 | C32 | C14 | 176.7° | 179.6° |
| N7 | C16 | C15 | C20 | 180.0° | 180.0° |
| N7 | C16 | C17 | H21 | 0.8° | 0.1° |
| C16 | N7 | C32 | H38 | 180.0° | 90.4° |
| C16 | N7 | C32 | H39 | 60.0° | 29.6° |
| C16 | N7 | C32 | H37 | 60.0° | 149.5° |
| N7 | C32 | H38 | H39 | 120.0° | 120.0° |
| N7 | C32 | H38 | H37 | 120.0° | 120.0° |
| N7 | C32 | H39 | H37 | 120.0° | 119.9° |
| C12 | C33 | C34 | H40 | 180.0° | 180.0° |
| C12 | C33 | C34 | C9 | 0.3° | 0.3° |
| C33 | C12 | N3 | H18 | 120.7° | 179.9° |
| C33 | C12 | C11 | H17 | 179.9° | 180.0° |
| C12 | C33 | C34 | H41 | 179.7° | 180.0° |
| C33 | C34 | C9 | H41 | 180.0° | 179.7° |
| C34 | C9 | C10 | H16 | 178.8° | 179.7° |
| C9 | C34 | C33 | H40 | 179.8° | 179.8° |
| N7 | C14 | C13 | H19 | 71.4° | 150.3° |
| N7 | C14 | C13 | H20 | 167.8° | 30.3° |
| C14 | N7 | C32 | H38 | 3.3° | 90.0° |
| C14 | N7 | C32 | H39 | 116.7° | 150.0° |
| C14 | N7 | C32 | H37 | 123.3° | 30.1° |
| C27 | C31 | C30 | H35 | 179.8° | 180.0° |
| H18 | N3 | C13 | H19 | 144.3° | 120.1° |
| H18 | N3 | C13 | H20 | 23.5° | 120.0° |
| H9 | C4 | C5 | H10 | 154.5° | 60.1° |
| H9 | C4 | C5 | H11 | 87.1° | NaN° |
| H9 | C4 | C3 | H7 | 101.1° | NaN° |
| H9 | C4 | C3 | H6 | 140.1° | 60.0° |
| H8 | C4 | C5 | H10 | 37.0° | 180.0° |
| H8 | C4 | C5 | H11 | 155.4° | 60.1° |
| H8 | C4 | C3 | H7 | 16.4° | 60.0° |
| H8 | C4 | C3 | H6 | 102.4° | 180.0° |
| H10 | C5 | C6 | H12 | 106.5° | 180.0° |
| H10 | C5 | C6 | H13 | 15.2° | 60.0° |
| H11 | C5 | C6 | H12 | 135.2° | 60.0° |
| H11 | C5 | C6 | H13 | 103.1° | 180.0° |
| H16 | C10 | C11 | H17 | 0.7° | 0.0° |
| H21 | C17 | C18 | H22 | 1.2° | 0.0° |
| H24 | C22 | C23 | H26 | 111.5° | 60.0° |
| H24 | C22 | C23 | H27 | 131.2° | 179.9° |
| H25 | C22 | C23 | H26 | 8.0° | 179.9° |
| H25 | C22 | C23 | H27 | 109.3° | 60.0° |
| H30 | C26 | H31 | H32 | 120.0° | 120.1° |
| H30 | C26 | C25 | H28 | 59.0° | 60.0° |
| H30 | C26 | C25 | H29 | 59.0° | 180.0° |
| H31 | C26 | C25 | H28 | 179.0° | 180.0° |
| H31 | C26 | C25 | H29 | 61.0° | 60.0° |
| H32 | C26 | C25 | H28 | 61.0° | 60.0° |
| H32 | C26 | C25 | H29 | 179.0° | 60.0° |
| H33 | C28 | C29 | H34 | 0.1° | 0.1° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H2 | C1 | C2 | H4 | 59.3° | 60.0° |
| H2 | C1 | C2 | H5 | 59.3° | 60.0° |
| H3 | C1 | C2 | H4 | 60.7° | 60.0° |
| H3 | C1 | C2 | H5 | 179.3° | 180.0° |
| H1 | C1 | C2 | H4 | 179.4° | 180.0° |
| H1 | C1 | C2 | H5 | 60.7° | 60.0° |
| H4 | C2 | C3 | H7 | 60.3° | 60.1° |
| H4 | C2 | C3 | H6 | 179.0° | 180.0° |
| H5 | C2 | C3 | H7 | 58.4° | 180.0° |
| H5 | C2 | C3 | H6 | 60.4° | 60.1° |
| H34 | C29 | C30 | H35 | 0.1° | 0.0° |
| H35 | C30 | C31 | H36 | 0.2° | 0.2° |
| H38 | C32 | H39 | H37 | 120.0° | 120.1° |
| H40 | C33 | C34 | H41 | 0.2° | 0.0° |
